The CP2K project : input section WAVELET

Section WAVELET

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MM%POISSON%WAVELET.

Sets up parameters of wavelet based poisson solver.This solver allows for non-periodic (PERIODIC NONE) boundary conditions and slab-boundary conditions (but only PERIODIC XZ).It does not require very large unit cells, only that the density goes to zero on the faces of the cell.The use of PREFERRED_FFT_LIBRARY FFTSG is required. This section can not be repeated and can be optional.

This section cites following references: [Genovese2006] [Genovese2007]

Subsections

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Section keywords

Keyword descriptions

SCF_TYPE
SCF_TYPE integer
Type of scaling function used in the wavelet approach, the total energy depends on this choice,and the convergence with respect to cutoff depends on the selected scaling functions.Possible values are 8,14,16,20,24,30,40,50,60,100
This optional keyword expects an integer. Default value: 40


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